Information card for entry 4073390

Structure parameters

• Formula: C36 H32 Sn V2
• Calculated formula: C36 H32 Sn V2
• SMILES: [Sn]([c]12[cH]3[V]456789%10%111([cH]3[cH]4[cH]25)[CH]1=[CH]%11C%10[CH]9=[CH]8[CH]7=[CH]61)([c]12[cH]3[V]456789%10%111([cH]3[cH]4[cH]25)[CH]1=[CH]%11[CH]%10=[CH]9[CH]8=[CH]7C61)(c1ccccc1)c1ccccc1
• Title of publication: Tetrakis([5]trovacenyl)tin: Synthesis, Structure, and Intramolecular Communication†
• Authors of publication: Elschenbroich, Christoph; Lu, Feng; Nowotny, Mathias; Burghaus, Olaf; Pietzonka, Clemens; Harms, Klaus
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 4025
• a: 9.3888 ± 0.0011 Å
• b: 11.7664 ± 0.0015 Å
• c: 13.4341 ± 0.0016 Å
• α: 80.25 ± 0.01°
• β: 82.34 ± 0.01°
• γ: 78.3 ± 0.01°
• Cell volume: 1424.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No